SCHEMBL13287941

SCHEMBL13287941

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 5/20 0.50
▸ SSTR1 P30872 4/20 0.50
▸ SSTR4 P31391 4/20 0.50
▸ SSTR3 P32745 4/20 0.50
▸ SSTR5 P35346 4/20 0.50
▸ PLAU P00749 2/20 0.49
▸ TBXA2R P21731 1/20 0.48
▸ AVPR1A P37288 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ CTSG P08311 2/20 0.48
▸ IL23R Q5VWK5 4/20 0.48
▸ KLKB1 P03952 2/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ TNFSF11 O14788 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ BAD Q92934 1/20 0.46
▸ ALB P02768 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13113566 0.99 SSTR2 (0.50) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL12082795 0.95 IL23R (0.52) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13113585 0.88 PLAU (0.51) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL16349705 0.87 SSTR2 (0.47) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287950 0.87 ALB (0.46) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287918 0.86 ALB (0.47) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287934 0.84 IL23R (0.52) IL23RBCL2L1BAD
SCHEMBL13649552 0.84 MDM2 (0.51) PLAUAVPR1ACTSGKLK7TNFSF11
SCHEMBL16349623 0.84 PLAU (0.46) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13113570 0.81 SSTR2 (0.44) SSTR2SSTR1SSTR4SSTR3SSTR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737252-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2010-06-15 — — US disclosed
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